2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

C14H23N5OS — CID 18130863

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H23N5OS/c1-3-19-6-4-11(5-7-19)17-13(20)9-21-14-16-10(2)8-12(15)18-14/h8,11H,3-7,9H2,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyRWOANZHPVYTDCS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.06
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 18130863) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID18130863
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H23N5OS/c1-3-19-6-4-11(5-7-19)17-13(20)9-21-14-16-10(2)8-12(15)18-14/h8,11H,3-7,9H2,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyRWOANZHPVYTDCS-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-chloro-1,1-dioxothiolan-3-yl)acetamide
CID 78909890
N-(1-ethylpiperidin-4-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493881
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 34945503
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7415761
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120601292
N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 128956684
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (CID 18130863) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2nc(C)cc(N)n2)CC1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is RWOANZHPVYTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-3-19-6-4-11(5-7-19)17-13(20)9-21-14-16-10(2)8-12(15)18-14/h8,11H,3-7,9H2,1-2H3,(H,17,20)(H2,15,16,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 18130863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).